4-[5-[3-(2-chloro-4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine

C21H17ClFN5O — CID 86267345

IUPAC4-[5-[3-(2-chloro-4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine
SMILESFc1ccc(-n2c(-c3ccc(N4CCOCC4)nc3)nc3ccncc32)c(Cl)c1
InChIInChI=1S/C21H17ClFN5O/c22-16-11-15(23)2-3-18(16)28-19-13-24-6-5-17(19)26-21(28)14-1-4-20(25-12-14)27-7-9-29-10-8-27/h1-6,11-13H,7-10H2
InChIKeyPELCSQOVVMCBSI-UHFFFAOYSA-N
MW409.85 g/mol
LogP4.11
Rot. Bonds3

About 4-[5-[3-(2-chloro-4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine

4-[5-[3-(2-chloro-4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine (PubChem CID 86267345) has the molecular formula C21H17ClFN5O and a molecular weight of 409.85 g/mol. Its IUPAC name is 4-[5-[3-(2-chloro-4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-[3-(2-chloro-4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine
PubChem CID86267345
Molecular FormulaC21H17ClFN5O
Molecular Weight409.85 g/mol
Exact Mass409.11
IUPAC Name4-[5-[3-(2-chloro-4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine
SMILESFc1ccc(-n2c(-c3ccc(N4CCOCC4)nc3)nc3ccncc32)c(Cl)c1
InChIInChI=1S/C21H17ClFN5O/c22-16-11-15(23)2-3-18(16)28-19-13-24-6-5-17(19)26-21(28)14-1-4-20(25-12-14)27-7-9-29-10-8-27/h1-6,11-13H,7-10H2
InChIKeyPELCSQOVVMCBSI-UHFFFAOYSA-N
XLogP4.11
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.85
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-(2-chloro-4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-[3-(2-chloro-4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine (CID 86267345) is 4-[5-[3-(2-chloro-4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-[3-(2-chloro-4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-[3-(2-chloro-4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine is Fc1ccc(-n2c(-c3ccc(N4CCOCC4)nc3)nc3ccncc32)c(Cl)c1.
What is the InChIKey of 4-[5-[3-(2-chloro-4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine?
The InChIKey is PELCSQOVVMCBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN5O/c22-16-11-15(23)2-3-18(16)28-19-13-24-6-5-17(19)26-21(28)14-1-4-20(25-12-14)27-7-9-29-10-8-27/h1-6,11-13H,7-10H2.
What are the key properties of 4-[5-[3-(2-chloro-4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine?
4-[5-[3-(2-chloro-4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine has a molecular weight of 409.85 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-(2-chloro-4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 86267345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).